SCHEMBL3607641

SCHEMBL3607641

O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc3ccccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 1.00
TYMS P04818 3/20 1.00
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
ESR1 P03372 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ESR2 Q92731 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
HSP90AA1 P07900 1/20 0.48
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3605275 0.81 DHFR (0.74) DHFRTYMSMEN1LMNAMAPT
SCHEMBL3600979 0.81 DHFR (0.74) DHFRTYMSMEN1LMNAMAPT
SCHEMBL649476 0.81 DHFR (0.67) DHFRTYMSALDH1A1ALOX15HSD17B10
SCHEMBL6652633 0.76 TYMS (0.61) DHFRTYMSALDH1A1ALOX15TSHR
SCHEMBL3378483 0.75 TYMS (0.61) DHFRTYMSALDH1A1ALOX15TSHR
SCHEMBL14894102 0.75 DHFR (0.59) DHFRTYMSALDH1A1ALOX15TSHR
SCHEMBL14481559 0.75 DHFR (0.59) DHFRTYMSALDH1A1ALOX15TSHR
SCHEMBL4635984 0.75 DHFR (0.59) DHFRTYMSALDH1A1ALOX15TSHR
SCHEMBL6815170 0.75 TYMS (0.59) DHFRTYMSALDH1A1ALOX15TSHR
SCHEMBL23992333 0.74 DHFR (0.59) DHFRTYMSALDH1A1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYDOCKPHARMA S.R.L. (IT) 2010-02-25 US claimed
US-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYDOCKPHARMA S.R.L. (IT) 2010-02-25 US disclosed
EP-2044047-A1 NAPHTHOFURANONE DERIVATIVES AS SPECIFIC INHIBITORS OF THYMIDYLATE SYNTHASES TydockPharma S.r.l. (IT) 2009-04-08 EP disclosed
WO-2008003510-A1 NAPHTHOFURANONE DERIVATIVES AS SPECIFIC INHIBITORS OF THYMIDYLATE SYNTHASES TYDOCKPHARMA S.R.L. (IT) 2008-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYMS, TYMP, DNTT DHFR 12/4885TYMS 1/4885ALDH1A1 1436/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.